============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 10 0.840 28.355 51.640 45.588 -99.200 -91.000 TYR 15 0.840 26.447 58.945 38.585 -99.200 -91.000 TYR 16 0.840 24.219 57.691 46.950 -99.200 -91.000 PHE 28 1.000 14.468 59.754 54.897 -99.200 -91.000 PHE 32 1.000 17.677 64.622 43.509 -99.200 -91.000 TRP 40 1.040 10.168 55.525 46.012 -99.200 -91.000 TRP6 40 1.020 11.518 54.092 47.268 -99.200 -91.000 TYR 50 0.840 8.455 43.841 52.660 -99.200 -91.000 TYR 55 0.840 21.177 45.458 56.033 -99.200 -91.000 HIS 56 0.900 18.235 50.919 51.997 -99.200 -91.000 PHE 59 1.000 8.645 61.427 57.172 -99.200 -91.000 TYR 67 0.840 2.344 62.782 58.635 -99.200 -91.000 HIS 69 0.900 -3.883 59.958 57.796 -99.200 -91.000 TYR 78 0.840 10.284 53.176 40.699 -99.200 -91.000 PHE 86 1.000 1.472 55.226 54.743 -99.200 -91.000 PHE 103 1.000 6.717 62.289 52.390 -99.200 -91.000 PHE 114 1.000 13.725 49.138 45.503 -99.200 -91.000 PHE 119 1.000 19.179 54.283 45.130 -99.200 -91.000 PHE 127 1.000 7.448 66.429 30.988 -99.200 -91.000 PHE 139 1.000 11.886 71.899 37.682 -99.200 -91.000 PHE 153 1.000 14.891 68.889 35.664 -99.200 -91.000 PHE 155 1.000 19.563 65.013 36.510 -99.200 -91.000 TYR 156 0.840 29.904 66.724 35.991 -99.200 -91.000 TYR 157 0.840 24.194 61.180 36.575 -99.200 -91.000 HIS 176 0.900 31.087 70.218 36.811 -99.200 -91.000 TYR 177 0.840 27.420 74.068 29.646 -99.200 -91.000 PHE 181 1.000 23.356 72.540 27.438 -99.200 -91.000 HIS 182 0.900 24.840 71.890 19.137 -99.200 -91.000 TYR 183 0.840 18.765 73.494 24.042 -99.200 -91.000 TRP 192 1.040 11.776 64.857 31.349 -99.200 -91.000 TRP6 192 1.020 12.055 66.964 30.414 -99.200 -91.000 TYR 222 0.840 24.633 48.985 33.887 -99.200 -91.000 PHE 244 1.000 17.850 38.326 33.555 -99.200 -91.000 TYR 246 0.840 24.415 40.995 26.086 -99.200 -91.000 PHE 261 1.000 23.765 55.458 21.646 -99.200 -91.000 HIS 262 0.900 23.503 58.398 13.480 -99.200 -91.000 TYR 268 0.840 24.112 64.402 20.618 -99.200 -91.000 TYR 275 0.840 31.215 50.778 24.122 -99.200 -91.000 PHE 277 1.000 30.865 49.833 34.004 -99.200 -91.000 TYR 281 0.840 44.006 47.641 30.742 -99.200 -91.000 HIS 291 0.900 22.967 45.338 32.030 -99.200 -91.000 TRP 303 1.040 17.571 51.981 21.261 -99.200 -91.000 TRP6 303 1.020 19.726 51.131 21.533 -99.200 -91.000 PHE 309 1.000 23.741 60.176 25.259 -99.200 -91.000 PHE 313 1.000 27.611 62.994 24.373 -99.200 -91.000 TYR 314 0.840 25.619 70.258 32.579 -99.200 -91.000 PHE 317 1.000 16.826 65.922 31.749 -99.200 -91.000 PHE 326 1.000 21.044 64.732 24.964 -99.200 -91.000